SCHEMBL17409489

SCHEMBL17409489

Nc1ccc(C#Cc2ccc3nc(N)cn3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.60
PDGFRB P09619 7/20 0.55
APP P05067 3/20 0.42
MAPT P10636 1/20 0.38
PDE10A Q9Y233 3/20 0.36
TTR P02766 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17424245 0.78 KDR (0.51) KDRPDGFRBPDE10A
SCHEMBL17409490 0.76 KDR (1.00) KDRPDGFRB
SCHEMBL17409449 0.76 KDR (0.58) KDRPDGFRBAPP
SCHEMBL17409455 0.72 KDR (1.00) KDRPDGFRB
SCHEMBL17424247 0.69 KDR (0.80) KDRPDGFRB
SCHEMBL12673757 0.66 DYRK1A (0.41) KDRPDGFRB
SCHEMBL16409613 0.66 PIK3CG (0.40) KDRPDGFRB
SCHEMBL1302985 0.66 KDM4E (0.46) KDRPDGFRB
SCHEMBL2514258 0.66 PIK3CG (0.40) KDRPDGFRB
SCHEMBL9611200 0.65 APP (1.00) APPMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed